Compound Detail
CHEMBL3594150
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C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
Basic Information
| ChEMBL ID | CHEMBL3594150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCWPXHMUBMRCHV-KEMHIYJBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
4.78
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Unchecked | 2 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Sucrase-isomaltase, intestinal | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Acidic alpha-glucosidase | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | K562 | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine